7LG3

Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	64.269, 78.281, 91.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.740 - 2.300
R-factor	0.1919
Rwork	0.190
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7b
RMSD bond length	0.008
RMSD bond angle	1.495
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.670	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.196
Rmeas	0.218
Rpim	0.093
Number of reflections	20879	1005
<I/σ(I)>	6.3	1.1
Completeness [%]	99.3	98.2
Redundancy	4.7	3.6
CC(1/2)	0.982	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	290	20% PEG4000, 0.1 M sodium acetate, pH 5.6, 20% isopropanol